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1208077-29-5 | 3-Chloro-2,6-difluorophenylmethylsulfone
CAS No: 1208077-29-5 Catalog No: AG01FBX2 MDL No:MFCD12922598
Product Description
Catalog Number:
AG01FBX2
Chemical Name:
3-Chloro-2,6-difluorophenylmethylsulfone
CAS Number:
1208077-29-5
Molecular Formula:
C7H5ClF2O2S
Molecular Weight:
226.6282
MDL Number:
MFCD12922598
IUPAC Name:
1-chloro-2,4-difluoro-3-methylsulfonylbenzene
InChI:
InChI=1S/C7H5ClF2O2S/c1-13(11,12)7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChI Key:
GIBQEVZAROJMPQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1S(=O)(=O)C)F)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.622g/mol
Monoisotopic Mass:
225.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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